Information card for entry 1507663

Structure parameters

• Common name: (S)-ethyl 5-(4-bromophenyl)-4-((2-(t-butyl)phenyl)(hydroxy)amino) -5-oxopentanoate
• Formula: C23 H28 Br N O4
• Calculated formula: C23 H28 Br N O4
• SMILES: Brc1ccc(cc1)C(=O)[C@H](CCC(=O)OCC)N(c1c(cccc1)C(C)(C)C)O
• Title of publication: Catalytic enantioselective N-nitroso aldol reaction of γ,δ-unsaturated δ-lactones.
• Authors of publication: Yanagisawa, Akira; Fujinami, Takeo; Oyokawa, Yu; Sugita, Takuya; Yoshida, Kazuhiro
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2434 - 2437
• a: 8.9034 ± 0.0002 Å
• b: 10.554 ± 0.0002 Å
• c: 23.8579 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2241.84 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No